| SpectraBase Compound ID | AtE2GQYvhky |
|---|---|
| InChI | InChI=1S/C21H25NO4/c1-22(2,23)12-11-14-13-19(25-4)21(26-5)20-15(14)9-10-16-17(20)7-6-8-18(16)24-3/h6-10,13H,11-12H2,1-5H3 |
| InChIKey | VQHJGXLRCBBBTQ-UHFFFAOYSA-N |
| Mol Weight | 355.43 g/mol |
| Molecular Formula | C21H25NO4 |
| Exact Mass | 355.178358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K7XV4oOZZTc |
|---|---|
| Name | Fissicesine - N-oxide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 355.178358285 u |
| Formula | C21H25NO4 |
| InChI | InChI=1S/C21H25NO4/c1-22(2,23)12-11-14-13-19(25-4)21(26-5)20-15(14)9-10-16-17(20)7-6-8-18(16)24-3/h6-10,13H,11-12H2,1-5H3 |
| InChIKey | VQHJGXLRCBBBTQ-UHFFFAOYSA-N |
| Molecular Weight | 355.434 g/mol |
| SMILES | C1=2C=3C(=C(OC)C=CC3)C=CC1=C(CC[N+]([O-])(C)C)C=C(C2OC)OC |